Article ID Journal Published Year Pages File Type
5395152 Computational and Theoretical Chemistry 2011 8 Pages PDF
Abstract
► Density functional study of some alkylating drug molecules. ► Drugs studied include: Nitrogen mustards, Nitrosoureas, Alkylsulphonates, and Aziridines. ► Structure, energetics and chemcial reactivity parameters determined. ► For most of the drugs, Guanine in DNA is found to be the primary target. ► This validates earlier experimental findings for anti-tumour drugs.
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Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry
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Chemical reactivity analysis of some alkylating drug molecules - A density functional theory approach
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